2-{[(3α,5Beta,9Xi)-24-Oxo-3-(Sulfooxy)Cholan-24-Yl]Amino}Ethanesulfonic Acid
Properties
Property | Value |
---|---|
Formula | C26H47NO8S2 |
IUPAC Name | [(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(1r)-1-methyl-4-oxo-4-(2-sulfoethylamino)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
Molecular Mass | 565.783 g·mol−1 |
Heat of Formation | -1725.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.82 ± 1.08 D |
Volume | 664.88 Å 3 |
Surface Area | 515.6 Å 2 |
HOMO Energy | -9.98 ± 0.55 eV |
LUMO Energy | 2.99 ± eV |
Point Group Symmetry | C1 |
InChIKey | HSNPMXROZIQAQD-BQFCQYIHSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H S C O N |